Molecule

ID:104990

General Information
Structure
MolImage
Molecular Formula
C₁₂H₁₂
Molecular Mass
156.22368
Exact Mass
156.09390038
Charge
0
InChI
InChI=1S/C12H12/c1-2-10-7-5-8-11-6-3-4-9-12(10)11/h3-9H,2H2,1H3
InChIKey
ZMXIYERNXPIYFR-UHFFFAOYSA-N
Canonic Smiles
CCc1cccc2c1cccc2
Isomeric Smiles
CCc1cccc2ccccc12
Calculated Properties
JChem
H Acceptors
0
H Donor
0
LogD (pH = 5.5)
3.9207127
LogD (pH = 7.4)
3.9207127
Log P
3.9207127
Molar Refractivity
52.1504
Polarizability
21.667427
Polar Surface Area
0.0
Rotatable Bonds
1
Lipinski's Rule of Five
true
Data Source
Names and Identifiers
Registration numbers
Properties
Related Proteins
No Data Available
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Molecular Spectra
No Data Available
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Molecule Details
References
Bioactivity
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